SCHEMBL6984640

SCHEMBL6984640

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(/C=C/c1ccccc1)(CC(C)C)C(=O)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.37
MMP1 P03956 9/20 0.37
MMP2 P08253 8/20 0.37
MMP7 P09237 6/20 0.37
ADAM17 P78536 3/20 0.36
FCER2 P06734 2/20 0.36
MMP8 P22894 3/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ANPEP P15144 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6944459 0.87 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6987624 0.85 MAPT (0.36) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6945158 0.85 ADAM17 (0.41) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6943938 0.84 ADAM17 (0.40) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6981660 0.83 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6983453 0.83 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6986412 0.83 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6981614 0.83 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
SCHEMBL6937767 0.83 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17
Hydrochloric Acid SCHEMBL6986445 0.82 ADAM17 (0.39) MMP3MMP1MMP2MMP7ADAM17

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed